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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443178 50443178.mol2, BDB-kin50443178.pdbqt 313,46 102,15 -4,847 417,536 3,4039 6 2 0 6,981 0,608569671829337
50443179 50443179.mol2, BDB-kin50443179.pdbqt 284,66 133,92 -5,974 392,442 3,4246 8 2 0 2,7277 0,503665559226154
50443180 50443180.mol2, BDB-kin50443180.pdbqt 313,46 102,15 -4,847 417,536 3,4039 6 2 0 6,981 0,608569671829337
50443181 50443181.mol2, BDB-kin50443181.pdbqt 313,46 102,15 -4,847 417,536 3,4039 6 2 0 6,981 0,608569671829337
50443182 50443182.mol2, BDB-kin50443182.pdbqt 363,24 111,38 -5,465 475,615 4,1465 7 2 0 8,5375 0,27805396691125
50443183 50443183.mol2, BDB-kin50443183.pdbqt 275,31 83,12 -5,965 371,463 4,8865 4 1 0 3,3233 0,436820992399432
50443184 50443184.mol2, BDB-kin50443184.pdbqt 275,31 83,12 -5,965 371,463 4,8865 4 1 0 3,3233 0,436820992399432
50443185 50443185.mol2, BDB-kin50443185.pdbqt 299,03 97,28 -5,545 404,493 3,8797 6 1 0 6,1633 0,52660607816747
50443186 50443186.mol2, BDB-kin50443186.pdbqt 299,4 108,14 -5,719 404,493 4,1089 6 2 0 5,6473 0,497971796768819
50443187 50443187.mol2, BDB-kin50443187.pdbqt 305,97 108,56 -5,136 417,488 3,3892 6 2 0 2,2217 0,552575758518119
50443188 50443188.mol2, BDB-kin50443188.pdbqt 287,14 108,14 -5,351 390,466 3,711 6 2 0 5,3643 0,562211861349424
50443189 50443189.mol2, BDB-kin50443189.pdbqt 317,68 112,58 -5,867 431,515 4,2192 6 2 0 3,2901 0,454462268433765
50443190 50443190.mol2, BDB-kin50443190.pdbqt 247,09 79,46 -4,945 330,451 4,0272 4 1 0 -1,1419 0,229257950998471
50443191 50443191.mol2, BDB-kin50443191.pdbqt 237,81 92,35 -3,921 325,391 3,2113 5 1 0 3,3442 0,451895319269483
50443192 50443192.mol2, BDB-kin50443192.pdbqt 239,05 79,46 -4,692 324,403 4,1582 4 1 0 3,3442 0,373459723207984
50443193 50443193.mol2, BDB-kin50443193.pdbqt 260,76 103,25 -5,465 349,413 3,9938 5 1 0 -0,93584 0,214501221199409
50443194 50443194.mol2, BDB-kin50443194.pdbqt 261,31 88,69 -4,71 354,429 4,0882 5 1 0 3,3442 0,367650170404175
50443292 50443292.mol2, BDB-kin50443292.pdbqt 300 117,99 -3,848 443,26 1,7584 9 1 0 1,9525 0,242521169807874
50443293 50443293.mol2, BDB-kin50443293.pdbqt 309,76 131,12 -4,719 457,287 2,082 9 2 0 1,9201 0,581802664749692
50443296 50443296.mol2, BDB-kin50443296.pdbqt 307,59 125,33 -4,347 458,271 2,4136 9 2 0 1,9405 0,608163260167094
These data are only available for scientific research purposes.